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Energy, Particle, and Photon Fluxes in Molecular Junctions.

Hari Kumar YadalamShaul MukamelUpendra Harbola
Published in: The journal of physical chemistry letters (2020)
Electroluminescence from a current-carrying molecular junction at steady state is simulated. (Charge) particle conservation and energy conservation are satisfied by a perturbative expansion in the radiation/matter coupling. Our approach makes it possible to adopt standard tools of traditional (equilibrium) spectroscopy to study signals from open systems such as molecular junctions. The nonperturbative analysis of spontaneous light emission signals coincides with the perturbative approach for weak molecule-field coupling.
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